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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_c_23_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3371762; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_c_22_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3159097; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_c_24_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.328113; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_47_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3596272; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_t_23_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3426906; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_47_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.62086; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_c_47_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3613446; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6276516; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6271847; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_24_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6384556; Eh
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